CID 593048

4-ethyl-5-methyl-2-(1-methylethyl)thiazole

Structural Information

Molecular Formula
C9H15NS
SMILES
CCC1=C(SC(=N1)C(C)C)C
InChI
InChI=1S/C9H15NS/c1-5-8-7(4)11-9(10-8)6(2)3/h6H,5H2,1-4H3
InChIKey
CMIKRIOXEPLAGU-UHFFFAOYSA-N
Compound name
4-ethyl-5-methyl-2-propan-2-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

169.09251 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09979 138.4
[M+Na]+ 192.08173 149.9
[M+NH4]+ 187.12633 147.7
[M+K]+ 208.05567 143.4
[M-H]- 168.08523 140.2
[M+Na-2H]- 190.06718 142.9
[M]+ 169.09196 141.0
[M]- 169.09306 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe